Y040-3699 Screening compound: 2-[2-(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetamido]-3-methylbutanoic acid

Y040-3699 Screening compound: 2-[2-(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetamido]-3-methylbutanoic acid
Y040-3699 Screening compound: 2-[2-(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetamido]-3-methylbutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3699
2-[2-(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetamido]-3-methylbutanoic acid

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

Y040-3699

Molecular Formula

C19H23NO6 (C19 H23 NO6)

Compound Name

2-[2-(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetamido]-3-methylbutanoic acid

IUPAC name

(2R)-2-[2-(7-methoxy-48-dimethyl-2-oxo-2H-chromen-3-yl)acetamido]-3-methylbutanoic acid

SMILES

CC(C)C(C(O)=O)NC(CC1=C(C)c(ccc(OC)c2C)c2OC1=O)=O

InChI

InChI=1S/C19H23NO6/c1-9(2)16(18(22)23)20-15(21)8-13-10(3)12-6-7-14(25-5)11(4)17(12)26-19(13)24/h6-7,9,16H,8H2,1-5H3,(H,20,21)(H,22,23)/t16-/m0/s1

InChI Key

GVOQVVHVIGRDCP-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.287

Distribution Coefficient, logD

-2.300

Water Solubility, LogSw

-2.14

Polar Surface Area

80.707

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

Y040-3699 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y040-3699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3699?
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What is the minimum amount of Y040-3699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3699
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of Y040-3699 available by request